화학공학소재연구정보센터
Chemical Physics Letters, Vol.475, No.4-6, 298-301, 2009
Elimination of spurious solutions of the Dirac equation using the Lanczos algorithm
Spurious solutions of the Dirac equation which arise and also occur in finite basis-set calculations can easily be identified and eliminated using the Lanczos algorithm. Numerically convergent eigensolutions of the Dirac Hamiltonian for a relativistic electron in an external central Coulomb-like potential are obtained to demonstrate the method. (c) 2009 Elsevier B.V. All rights reserved.